SCHEMBL5853807

SCHEMBL5853807

C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCC[Si](C)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 3/20 0.48
CA2 P00918 1/20 0.48
MAPK1 P28482 4/20 0.47
LMNA P02545 3/20 0.47
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TSHR P16473 5/20 0.41
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3101732 0.84 TDP1 (0.48) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL6675432 0.80 TSHR (0.58) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL5853813 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL5853805 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL890675 0.78 TSHR (0.69) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL9115198 0.78 TSHR (0.69) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL1275661 0.78 TSHR (0.69) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL10585558 0.78 TSHR (0.69) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL8962376 0.78 TSHR (0.69) ALDH1A1CYP3A4CA2MAPK1LMNA
Styrene SCHEMBL1246542 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2MAPK1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989430-B2 High refractive index aromatic-based siloxane monofunctional macromonomers BAUSCH & LOMB INCORPORATED (US) 2006-01-24 US disclosed